5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide

C13H11F3N2O2S — CID 79898624

IUPAC5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H11F3N2O2S/c1-7-12(16)5-10(17)6-13(7)21(19,20)18-11-3-8(14)2-9(15)4-11/h2-6,18H,17H2,1H3
InChIKeyXHMHGKASIOPSGB-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.80
Rot. Bonds3

About 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898624) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898624
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H11F3N2O2S/c1-7-12(16)5-10(17)6-13(7)21(19,20)18-11-3-8(14)2-9(15)4-11/h2-6,18H,17H2,1H3
InChIKeyXHMHGKASIOPSGB-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 114931837
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide (CID 79898624) is 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XHMHGKASIOPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-7-12(16)5-10(17)6-13(7)21(19,20)18-11-3-8(14)2-9(15)4-11/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).